Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl tetrahydro-4-methyl-3-oxothiophene-2-carbonate |
EINECS | N/A |
CAS No. | 2689-70-5 | Density | 1.224 g/cm3 |
PSA | 68.67000 | LogP | 0.48000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H10O3S | Boiling Point | 254 °C |
Molecular Weight | 174.221 | Flash Point | 116 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Carbomethoxy-4-methyl-3-thiophanone;Methyl 4-methyl-3-oxo-2,3,4,5-tetrahydrothiophene-2-carboxylate;Methyl4-methyl-3-oxotetrahydrothiophene-2-carboxylate; |
Article Data | 1 |
This chemical is called Methyl tetrahydro-4-methyl-3-oxothiophene-2-carbonate, and its systematic name is methyl 2,5-anhydro-4-deoxy-4-methyl-2-thiopent-3-ulosonate. With the molecular formula of C7H10O3S, its molecular weight is 174.22. The CAS registry number of this chemical is 2689-70-5.
Other characteristics of the Methyl tetrahydro-4-methyl-3-oxothiophene-2-carbonate can be summarised as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35; (8)ACD/KOC (pH 7.4): 35; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.67 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 42.398 cm3; (15)Molar Volume: 142.295 cm3; (16)Polarizability: 16.808×10-24cm3; (17)Surface Tension: 40.86 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 115.819 °C; (20)Enthalpy of Vaporization: 49.127 kJ/mol; (21)Boiling Point: 253.861 °C at 760 mmHg; (22)Vapour Pressure: 0.018 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)C1SCC(C1=O)C
2.InChI: InChI=1/C7H10O3S/c1-4-3-11-6(5(4)8)7(9)10-2/h4,6H,3H2,1-2H3
3.InChIKey: FOGAQTVNXLQDSO-UHFFFAOYAU
4.Std. InChI: InChI=1S/C7H10O3S/c1-4-3-11-6(5(4)8)7(9)10-2/h4,6H,3H2,1-2H3